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Biological Magnetic Resonance Data Bank


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BMRB Entry 18579

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18579
MolProbity Validation Chart

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Title: Methylated Histone Complex

Deposition date: 2012-07-07 Original release date: 2012-12-06

Authors: Cui, Gaofeng; Botuyan, Maria Victoria; Mer, Georges

Citation: Cui, Gaofeng; Botuyan, Maria Victoria; Mer, Georges. "Methylated Histone Complex"  Not known ., .-..

Assembly members:
entity_1, polymer, 123 residues, 13944.895 Da.
entity_2, polymer, 14 residues, 1724.060 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: GHMNSFVGLRVVAKWSSNGY FYSGKITRDVGAGKYKLLFD DGYECDVLGKDILLCDPIPL DTEVTALSEDEYFSAGVVKG HRKESGELYYSIEKEGQRKW YKRMAVILSLEQGNRLREQY GLG
entity_2: GAKRHRXVLRDNIQ

Data sets:
Data typeCount
13C chemical shifts598
15N chemical shifts137
1H chemical shifts971

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 123 residues - 13944.895 Da.

1   GLYHISMETASNSERPHEVALGLYLEUARG
2   VALVALALALYSTRPSERSERASNGLYTYR
3   PHETYRSERGLYLYSILETHRARGASPVAL
4   GLYALAGLYLYSTYRLYSLEULEUPHEASP
5   ASPGLYTYRGLUCYSASPVALLEUGLYLYS
6   ASPILELEULEUCYSASPPROILEPROLEU
7   ASPTHRGLUVALTHRALALEUSERGLUASP
8   GLUTYRPHESERALAGLYVALVALLYSGLY
9   HISARGLYSGLUSERGLYGLULEUTYRTYR
10   SERILEGLULYSGLUGLYGLNARGLYSTRP
11   TYRLYSARGMETALAVALILELEUSERLEU
12   GLUGLNGLYASNARGLEUARGGLUGLNTYR
13   GLYLEUGLY

Entity 2, entity_2 14 residues - 1724.060 Da.

1   GLYALALYSARGHISARGMLYVALLEUARG
2   ASPASNILEGLN

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1.7 mM; entity_2 8.5 mM; sodium phosphate 25 mM; DSS 0.001%; NaN3 0.001%

sample_2: entity_1, [U-100% 13C; U-100% 15N], 1.7 mM; entity_2 8.5 mM; sodium phosphate 25 mM; DSS 0.001%; NaN3 0.001%

sample_3: entity_1 5 mM; entity_2, [U-100% 13C; U-100% 15N], 4 mM; sodium phosphate 25 mM; DSS 0.001%; NaN3 0.001%

sample_4: entity_1 5 mM; entity_2, [U-100% 13C; U-100% 15N], 4 mM; sodium phosphate 25 mM; DSS 0.001%; NaN3 0.001%

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 13C/15N-filtered, 13C-edited NOESYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_3isotropicsample_conditions_1
3D 13C/15N-filtered, 13C-edited NOESYsample_4isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - data analysis

SANE, Duggan, Legge, Dyson & Wright - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

CSI, Wishart, D.S. - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

BMRB 25347 25348
PDB
DBJ BAC26637 BAC29383 BAE06107 BAE21103 BAG10235
EMBL CAC94013 CAD97660
GB AAA21596 AAC62018 AAH35206 AAH79906 AAI12162
REF NP_001135451 NP_001135452 NP_001162434 NP_001193326 NP_001277759
SP P70399 Q12888

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts